(2-ethyl-2-adamantyl) piperidine-1-carboxylate

C18H29NO2 — CID 170530173

IUPAC(2-ethyl-2-adamantyl) piperidine-1-carboxylate
SMILESCCC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO2/c1-2-18(21-17(20)19-6-4-3-5-7-19)15-9-13-8-14(11-15)12-16(18)10-13/h13-16H,2-12H2,1H3
InChIKeyQQKPAHIMNSPJJB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.21
Rot. Bonds2

About (2-ethyl-2-adamantyl) piperidine-1-carboxylate

(2-ethyl-2-adamantyl) piperidine-1-carboxylate (PubChem CID 170530173) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2-ethyl-2-adamantyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-ethyl-2-adamantyl) piperidine-1-carboxylate
PubChem CID170530173
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2-ethyl-2-adamantyl) piperidine-1-carboxylate
SMILESCCC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H29NO2/c1-2-18(21-17(20)19-6-4-3-5-7-19)15-9-13-8-14(11-15)12-16(18)10-13/h13-16H,2-12H2,1H3
InChIKeyQQKPAHIMNSPJJB-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine-1-carboxylic acid adamantan-2-yl ester
CID 52945668
3-Methylspiro[1,3-oxazolidine-5,2'-adamantane]-2-one
CID 12604735
CID 20801839
CID 20801839
1-Adamantyl piperidine-1-carboxylate
CID 59148772
(2-Methyl-2-adamantyl) piperidine-1-carboxylate
CID 67890582
(2-Methyl-2-adamantyl) thiomorpholine-4-carboxylate
CID 70799556
(2-Ethyl-2-adamantyl) thiomorpholine-4-carboxylate
CID 70799566
2-(1-Adamantyl)propan-2-yl piperidine-1-carboxylate
CID 89457697
2-(2-adamantyl)propan-2-yl N,N-dicyclohexylcarbamate
CID 117731530
(2-Propan-2-yl-2-adamantyl) 2-methyl-3-piperidin-1-ylpropanoate
CID 117959040
(2-Methyl-2-adamantyl) 2-methyl-3-piperidin-1-ylpropanoate
CID 117959047
(2-Prop-1-en-2-yl-2-adamantyl) piperidine-1-carboxylate
CID 170530064

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-adamantyl) piperidine-1-carboxylate?
The IUPAC name of (2-ethyl-2-adamantyl) piperidine-1-carboxylate (CID 170530173) is (2-ethyl-2-adamantyl) piperidine-1-carboxylate.
What is the SMILES notation for (2-ethyl-2-adamantyl) piperidine-1-carboxylate?
The canonical SMILES for (2-ethyl-2-adamantyl) piperidine-1-carboxylate is CCC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-ethyl-2-adamantyl) piperidine-1-carboxylate?
The InChIKey is QQKPAHIMNSPJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-2-18(21-17(20)19-6-4-3-5-7-19)15-9-13-8-14(11-15)12-16(18)10-13/h13-16H,2-12H2,1H3.
What are the key properties of (2-ethyl-2-adamantyl) piperidine-1-carboxylate?
(2-ethyl-2-adamantyl) piperidine-1-carboxylate has a molecular weight of 291.44 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-adamantyl) piperidine-1-carboxylate is sourced from PubChem (CID 170530173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).